Furanchalcone–biphenyl hybrids: synthesis, in silico studies, antitrypanosomal and cytotoxic activities
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Otros documentos de la autoría: García, Elisa; Ochoa, Rodrigo; Vasquez, Isabel; Conesa Milián, Laura; Carda, Miguel; Yepes, Andrés; Vélez, Iván D.; Robledo, Sara M.; Cardona Galeano, Wilson Isidro
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Título
Furanchalcone–biphenyl hybrids: synthesis, in silico studies, antitrypanosomal and cytotoxic activitiesAutoría
Fecha de publicación
2019Editor
Springer VerlagISSN
1054-2523; 1554-8120Cita bibliográfica
García, E., Ochoa, R., Vásquez, I. et al. Med Chem Res (2019) 28: 608. https://doi.org/10.1007/s00044-019-02323-7Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://link.springer.com/article/10.1007/s00044-019-02323-7Versión
info:eu-repo/semantics/acceptedVersionPalabras clave / Materias
Resumen
The synthesis, antitrypanosomal, and cytotoxic activities of 17 furanchalcone derivatives are described herein. The structure
of the synthesized products was elucidated by a combination of spectrometric analyses. The ... [+]
The synthesis, antitrypanosomal, and cytotoxic activities of 17 furanchalcone derivatives are described herein. The structure
of the synthesized products was elucidated by a combination of spectrometric analyses. The synthesized compounds were
evaluated against Trypanosoma cruzi, which is the pathogenic species to humans. Cytotoxicity was evaluated against human
U-937 macrophages. Eleven compounds were active against amastigotes of T. cruzi with EC50 values lower than 40 µM.
Hybrids 7b–7d and 8a–8g showed better activity than benznidazole. Structure activity relationship (SAR) showed that the
presence of electron withdrawing groups, such as nitro or fluorine, increased the activity and that the degree of oxygenation
is essential for activity. In addition, molecular docking was used to identify a possible protein target for the designed
compounds. A spearman correlation of 0.608 between the predicted scores and the experimental data profile the enzyme
cruzipain as a potential candidate. Finally, in silico ADMET studies of the arylfuranchalcones showed that these novel
compounds have suitable drug-like properties, making them potentially promising agents for antichagasic therapy. [-]
Publicado en
Medicinal Chemistry Research (2019) 28Proyecto de investigación
CODI 6203Derechos de acceso
© Springer Science+Business Media, LLC, part of Springer Nature 2019
“This is a post-peer-review, pre-copyedit version of an article published in Medicinal Chemistry Research. The final authenticated version is available online at: https://doi.org/10.1007/s00044-019-02323-7”
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